133 Works

Structure and in silico simulations of a cold-active esterase reveals its prime cold-adaptation mechanism - data

Nehad Noby, Husam Sabah Auhim, Samuel Winter, Harley L Worthy, Pierre J Rizkallah, Stephen A Wells & Darran Dafydd Jones
The structure was detmined of a cold active family IV esterase (EstN7) cloned from Bacillus cohnii strain N1. EstN7 is a dimer with a classical α/β hydrolase fold. It has an acidic surface that is thought to play a role in cold-adaption by retaining solvation under changed water solvent entropy at lower temperatures. The conformation of the functionally important cap region is significantly different to EstN7's closest relatives, forming a bridge-like structure with reduced helical...

3D Pointcloud of Wallasey Library

Camilla Pezzica, Giovanni Bruschi & Oriel Prizeman
Pointclouds generated using Faro® Focus 3D X130 Laser scanner processed with Faro SCENE® with Structure-From-Motion photogrammetric pointclouds created using Leica® X1 24mm F2.8 lens (35mm full frame equivalent) 12.2Mp APS-C CMOS sensor in RAW processed using Agisoft Photoscan®. Final outputs combined using Cloud Compare® and Autodesk Recap®. Surveyed as an archetypal building for the AHRC funded Shelf-Life: Reimagining the Future of Carnegie Public Libraries project 2017-21 [AH/P002587/1].

The development, design and characterisation of a scale model horizontal axis tidal turbine for dynamic load quantification - data

Matthew Allmark, Tim O'Doherty, Allan Mason-Jones, Robert Ellis, Catherine Lloyd & Carlton Byrne
The data set contains experimental data collected during towing tank testing of horizontal axis tidal turbine. The 1/20th scale tidal turbine was tested at the Kelvin Hydrodynamic Laboritory tow tank facility in Glasgow. The data sets include measurements taken from instrumentation measuring turbine loading as well as readings taken of generator/motor parameters. Furthermore, the data sets include readings of a series of capacitance ultrasonic wave probes. The data is presented as a .mat workspace. The...

3D Pointcloud of Kettering Library

Camilla Pezzica, Giovanni Bruschi, Mahdi Boughanmi & Oriel Prizeman
Pointclouds generated using Faro® Focus 3D X130 Laser scanner processed with Faro SCENE® with Structure-From-Motion photogrammetric pointclouds created using Leica® X1 24mm F2.8 lens (35mm full frame equivalent) 12.2Mp APS-C CMOS sensor in RAW processed using Agisoft Photoscan®. Final outputs combined using Cloud Compare® and Autodesk Recap®. Surveyed as an archetypal building for the AHRC funded Shelf-Life: Reimagining the Future of Carnegie Public Libraries project 2017-21 [AH/P002587/1].

3D Pointcloud of Keighley Library

Camilla Pezzica, Giovanni Bruschi, Mahdi Boughanmi & Oriel Prizeman
Pointclouds generated using Faro® Focus 3D X130 Laser scanner processed with Faro SCENE® with Structure-From-Motion photogrammetric pointclouds created using Leica® X1 24mm F2.8 lens (35mm full frame equivalent) 12.2Mp APS-C CMOS sensor in RAW processed using Agisoft Photoscan®. Final outputs combined using Cloud Compare® and Autodesk Recap®. Surveyed as an archetypal building for the AHRC funded Shelf-Life: Reimagining the Future of Carnegie Public Libraries project 2017-21 [AH/P002587/1].

Prediction of Novel Humified Gas Turbine Cycle Parameters for Ammonia/Hydrogen Fuels - data

Milana Guteša Božo & Agustin Valera-Medina
Data to determine the best cycle configuration in a humidified ammonia/hydrogen gas turbine have been generated to address the inefficiencies of the use of ammonia-blends in power generation. The data contains results of chemical kinetics through a Chemical Reaction Network assessed under high pressure, high temperature conditions using a 70-30 ammonia-hydrogen (vol%) humidified blend. Several efficiencies (mechanical, combustion, turbine expansion, cooling, steam injection, etc.) are also determined, analyzed with variations of 5%, and compared, providing...

Q factor and frequency data for parallel plate resonator calibration

Richard Gumbleton, Samuel J Hefford, Jerome A Cuenca, Kenneth Nai & Adrian Porch
Microwave surface resistance is evaluated using a novel parallel plate resonator fixture through the direct measurment of Quality factor and resoant frequency. Measurment data is available in .xlsx format, where measurments for each samples plate are recorded as coloum entries consiting of Frequency (Hz), Quailty factor and evaluated surface resistance(Ohms). Each table row corresponds to repeated measurment results. Samples measured include buk Al6082 and silver plated Al6082 as well as additive manufactured AlSi10Mg and Ti6Al4V....

Association of fluorescent protein pairs and its significant impact on fluorescence and energy transfer - data

Jacob R Pope, Rachel L Johnson, W David Jamieson, Harley L Worthy, Senthilkumar Kailasam, Rochelle D Ahmed, Ismail Taban, Husam Sabah Auhim, Daniel W Watkins, Pierre J Rizjallah, Oliver K Castell & D Dafydd Jones
Data set for the above titled paper. Protein crystal structure data has been deposited seperately in the PDB under the accession code 5ni3. The data set includes the data that comprise the absorbance and fluoresence spectra and various in silico models.

Observation of Coherent Spin Waves in a Three-Dimensional Artificial Spin Ice Structure - data

Sourav Sahoo, Andrew May, Arjen Van Den Berg, Amrit Kumar Mondal, Sam Ladak & Anjan Barman
The spin wave (SW) dynamics of the 3D array were measured by using conventional Brillouin light scattering (BLS) technique. The 3D-ASI was fabricated by using a combination of TPL and thermal evaporation. BLS is a popular tool to measure SW dynamics of magnetic thin films and patterned nanostructures. It is a non-contact and thus non-invasive tool to measure thermally excited SWs at room temperature without any external excitation and under ambient conditions. This technique relies...

Photocatalytic behavior of Ba(Sb/Ta)2O6 perovskite for reduction of organic pollutants: Experimental and DFT correlation - data

Madhuri S Patila, Narasimharao Kitchamsetti, Sameena R Mulani, Sachin R. Rondiya, Nishad G Deshpande, Ranjit A Patil, Russell W Cross, Nelson Y Dzade, Kirankumar K Sharma, Pramod S Patil, Yuan-Ron Ma, Hyung Koun Cho & Rupesh S Devan
We have synthesized closely packed hexagonal 2D plates and clustered nanoparticle morphologies of Ba(Sb/Ta)2O6 (BSTO) perovskite via the polymerizable complex method for photocatalyst dye degradation activities. The BSTO crystallized in a hexagonal structure. The presence of Ba2+, Sb5+, Ta5+, and O2− chemical states identified from XPS confirmed the formation of pure Ba(Sb/Ta)2O6 phase accompanied with a minor amount of TaOx. Furthermore, BSTO showed excellent photocatalytic activity for the degradation of various organic dyes. The kinetic...

A Phenomenological Study of a Lab Scale Tidal Turbine Loading Under Combined Irregular Wave and Shear Flow Conditions - data

Matthew J Allmark, Rodrigo Martinez, Stephanie Ordonez-Sanchez, Catherine Lloyd, Timothy O'Doherty, Grégory Germain, Benoît Gaurier & Cameron Johnstone
The data set contains the measurements made of the flow impacting a 1/20th scale tidal stream turbine as well as containing measurments of the rotor loads experienced by the device. The data set was gathered during an experimental campaign undertaken at the IFREMER re-criculating flume, Boulogne Sur-Mer. The flow measurement was captured with a 2-dimensional LDA mounted at threee differing distances upstream of the device. The rotor load measurements were made using a thrust/torque transducer...

What you sample is what you get: ecomorphological variation in Trithemis (Odonata, Libellulidae) dragonfly wings reconsidered

Norman MacLeod, Banjamin Price & Zachary Stevens
Abstract Background The phylogenetic ecology of the Afro-Asian dragonfly genus Trithemis has been investigated previously by Damm et al. (in Mol Phylogenet Evol 54:870–882, 2010) and wing ecomorphology by Outomuro et al. (in J Evol Biol 26:1866–1874, 2013). However, the latter investigation employed a somewhat coarse sampling of forewing and hindwing outlines and reported results that were at odds in some ways with expectations given the mapping of landscape and water-body preference over the Trithemis...

Diamond on GaN/III-N membrane thermal stress characterisation data

Jerome Cuenca, Soumen Mandal & Oliver Williams
The dataset contains characterisation of chemical vapour deposited (CVD) diamond on gallium nitride/III-nitride (GaN/III-N) membranes. Characterisation includes: Surface Profilometry data using a BRUKER DEKTAK profilometer of the 0.5, 2.0 and 5 mm diameter membranes. Profilometry data is given for before and after CVD diamond is deposited on the III-N side of the GaN/III-N membrane in 2 directions orthogonal to one another. Raman spectroscopy of the 0.5 and 2.0 mm membranes at different locations and stages...

CO2 and H2O Coadsorption and Reaction on the Low-Index Surfaces of Tantalum Nitride: A First-Principles DFT-D3 Investigation - data

Nelson Y Dzade
A comprehensive mechanistic insight into the photocatalytic reduction of CO2 by H2O is indispensable for the development of highly efficient and robust photocatalysts for artificial photosynthesis. This work presents first-principles mechanistic insights into the adsorption and activation of CO2 in the absence and presence of H2O on the (001), (010), and (110) surfaces of tantalum nitride (Ta3N5), a photocatalysts of significant technological interest. The stability of the different Ta3N surfaces is shown to dictate the...

Larval mass and survival data for Maniola jurtina under drought stress, UK

M.P. Greenwell, M.S. Botham, M.W. Bruford, J.C. Day, L.C. Evans, M. Gibbs, I. Middlebrook, D.B. Roy, K. Watts & T.H. Oliver
Larval mass and survival data for Meadow Brown butterflies (Maniola jurtina) originating from nine different source populations in the UK and reared under one of two host plant treatment groups (either control or drought stress) in an outdoor insectary at UKCEH under natural environmental conditions. Each individual larva was monitored at three growth check points throughout development: 49 days after hatching (pre-overwintering), 162 days after hatching (post overwintering during larval growth) and 309 days after...

Electronic Structure and Surface Properties of Copper Thiocyanate: A Promising Hole Transport Material for Organic Photovoltaic Cells - data

Bonaventure A Odeke, Gyang D Chung, Jesutofunmi A Fajemisin, Kabir S Suraj, Denis K Tonui, Ayinla R Tobi, Thomas C Bewaale, Jamiu A Ajibola & Nelson Y Dzade
Considering the significance of hexagonal β-CuSCN in several optoelectronic technologies and applications, it is essential to investigate its electronic structure and surface properties. Herein, we have employed density functional theory (DFT) calculations to characterise the band structure, density of states, and the energy-dependent XPS valence band spectra at variable excitation energies of β-CuSCN. The surface properties in the absence and presence of dimethyl sulfoxide (DMSO), a solvent additive for improving perovskite solar cells' power conversion...

When Asking \"What\" and \"How\" Helps You Win: Mimicry of Interrogative Terms Facilitates Successful Online Negotiations

Kate Muir, Adam Joinson, Emily Collins, Rachel Cotterill & Nigel Dewdney

Electropositive nanodiamond-coated quartz microfiber membranes for targeted water filtration - data

Henry A Bland, Isabella Centeleghe, Evan L Thomas, Soumen Mandal, Jean-Yves Maillard & Oliver Williams
1: (a) Photographs of the uncoated and diamond-coated quartz membranes are provided as .JPEG and .TIFF files. (b) SEM micrograph of the uncoated quartz membrane is provided as .TIFF file. (c) Photographs of the nanodiamod coating solutions used in the fabrication process are provided as .TIFF files. 2: The zeta potential (ζ), defined as the potential difference between the stationary layer of fluid at a material’s surface and the bulk aqueous phase that surrounds it,...

Identification of C2-C5 products from CO2 hydrogenation over PdZn/TiO2-ZSM-5 hybrid catalysts

Jonathan Ruiz Esquius & Greg Shaw
A PdZn/TiO2 methanol catalysts was physically mixed with different ZSM-5 zeolites with different acidity (Si/Al ratio of 23, 50 and 80). The phisical mixture of two different catalysts for tandem reactions are known as hybrid catalysts. PdZn/TiO2-ZSM-5 hybrid catalysts were employed for the CO2 hydrogenation to CH3OH, consecutive CH3OH dehydration to dimethyl ether (DEM) and further CH3OH/DME conversion to hydrocarbons (20 bar, CO2/H2/N2 = 1/3/1, 30 ml min-1, 240-360 °C). PdZn/TiO2 catalyst prior and after...

3D Pointcloud of Fratton Library

Camilla Pezzica, Giovanni Bruschi, Mahdi Boughanmi & Oriel Prizeman
Pointclouds generated using Faro® Focus 3D X130 Laser scanner processed with Faro SCENE® with Structure-From-Motion photogrammetric pointclouds created using Leica® X1 24mm F2.8 lens (35mm full frame equivalent) 12.2Mp APS-C CMOS sensor in RAW processed using Agisoft Photoscan®. Final outputs combined using Cloud Compare® and Autodesk Recap®. Surveyed as an archetypal building for the AHRC funded Shelf-Life: Reimagining the Future of Carnegie Public Libraries project 2017-21 [AH/P002587/1].

3D Pointcloud of Wolverhampton Library

Camilla Pezzica, Clara-Larissa Lorenz, Mahdi Boughanmi & Oriel Prizeman
Pointclouds generated using Faro® Focus 3D X130 Laser scanner processed with Faro SCENE® with Structure-From-Motion photogrammetric pointclouds created using Leica® X1 24mm F2.8 lens (35mm full frame equivalent) 12.2Mp APS-C CMOS sensor in RAW processed using Agisoft Photoscan®. Final outputs combined using Cloud Compare® and Autodesk Recap®. Surveyed as an archetypal building for the AHRC funded Shelf-Life: Reimagining the Future of Carnegie Public Libraries project 2017-21 [AH/P002587/1].

Mercury Exchange in Zeolites Na-A and Na-Y Studied by Classical Molecular Dynamics Simulations and Ion Exchange Experiments - data

Carlos Hernandez Tamargo, Bright Kwakye-Awuah, Alexander J O'Malley & Nora H De Leeuw
The dataset is relevant to the investigation of the adsorption of Hg2+ in zeolites Na-A and Na-Y using molecular dynamics simulations. The data contains the details concerning the substitution of Na+ for Hg2+ at extra-framework positions, at different temperatures and under de-hydrated and hydrated conditions (120 water molecules per unit cell). It is also provided the mean-squared displacement (MSD) for the diffusion of water through the pore system of the zeolites, the hydration number of...

Mg/Ca ratios from multiple species of planktonic foraminifera from the Middle Miocene to modern from multiple sites in the global ocean

E.M. Mawbey, F. Boscolo-Galazzo, B.S. Wade & P.N. Pearson
Mg/Ca in multiple species of planktonic foraminifera from five time slices since the Middle Miocene to present (target ages 15, 12.5, 10, 7.5, 4.5, 2.5 and 0 Ma). These samples are from a range of globally and latitudinally distributed DSDP (Deep Sea Drilling Program), ODP (Ocean Drilling Program), IODP (International Ocean Discovery Program) open ocean sites. From low to high latitudes these are: Site U1338, U1489 (Eastern and Western Equatorial Pacific), Sites 871, 872, and...

The mechanism and role of hydrogen in the functionalisation of carboxylic acid-protected cobalt nanoparticles - data

Barbara Farkas, Umberto Terranova & Nora H De Leeuw
High magnetic saturation of cobalt nanoparticles has attracted significant interest towards their implementation as heat-generating agents in hyperthermia treatments. Still, considerable challenges exist in adapting these metallic particles into pragmatic, functional biomaterials. Carboxylic acid coatings have been shown as an attractive functionalisation option owing to their respectable stability and biocompatibility, however, only limited information is available on the molecular mechanism leading to their formation on cobalt nanoparticles. First principles-based theoretical methods are utilised to identify...

Data set for paper: Positive functional synergy of structurally integrated artificial protein dimers assembled by Click chemistry

Harley L Worthy, Husam Sabah Auhim, W David Jamieson, Jacob R Pope, Aaron Wall, Robert Batchelor, Rachel L Johnson, Daniel W Watkins, Pierre Rizkallah, Oliver K Castell & D Dafydd Jones
The dataset for the spectral data (absorbance and fluoresence) presented in the paper together with the full gel images that consistute Supporting Figure 4. All structural information has been submitted to the PDB with accession code 5nhn. Steady state fluoresence was performed as described in the experimental section of the related manuscript. The datasets for absorbance has given in molar absorbance coefficient so as to standardise to a protein concentrtation of 1 M. The methods...

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